| SpectraBase Spectrum ID |
372KmQUX8Lc |
| Name |
5-methylthio-1-(3-oxoundecyl)disulfanylundecan-3-one |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H44O2S3 |
| InChI |
InChI=1S/C23H44O2S3/c1-4-6-8-10-11-12-14-21(24)16-18-27-28-19-17-22(25)20-23(26-3)15-13-9-7-5-2/h23H,4-20H2,1-3H3 |
| InChIKey |
FVMXLMDFDICROR-UHFFFAOYSA-N |
| Instrument Name |
Thermo Electron Corporation DSQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.5b01031 |
| Molecular Weight |
448.783 g/mol |
| Optical Rotation |
[a]D20 = +2.6 (c = 0.31, CHCl3) |
| Reported Formula |
C23H44O2S3 |
| SMILES |
C(CCCCCCC(CCSSCCC(CC(CCCCCC)SC)=O)=O)C |
| SPLASH |
splash10-0002-1690000000-dff0d48d6df43c4bda6b |
| Source of Spectrum |
G4-79-588-5 |
| Wiley ID |
1849261 |
